BDBM179515 US9126976, 46

SMILES: COc1cccnc1CN1C[C@H](N(C[C@@H](O)C(F)(F)F)c2ccccc12)c1cccc(c1)C(F)(F)F

InChI Key: InChIKey=GMPIXGXQDCWLLL-JTHBVZDNSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 179515   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM179515 (US9126976, 46) Show SMILES COc1cccnc1CN1C[C@H](N(C[C@@H](O)C(F)(F)F)c2ccccc12)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C25H23F6N3O2/c1-36-22-10-5-11-32-18(22)13-33-14-21(16-6-4-7-17(12-16)24(26,27)28)34(15-23(35)25(29,30)31)20-9-3-2-8-19(20)33/h2-12,21,23,35H,13-15H2,1H3/t21-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	210	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description First, low density lipoprotein (LDL) (Meridian) was biotinylated by incubating LDL with biotin for 1 hour on ice, after which it was dialyzed to remo...				US Patent US9126976 (2015) BindingDB Entry DOI: 10.7270/Q25B018M
					More data for this Ligand-Target Pair